CID 54688507

Schembl10475296

Structural Information

Molecular Formula
C16H13N3O3
SMILES
CN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=C(C1=O)C(=O)N)O
InChI
InChI=1S/C16H13N3O3/c1-19-12-8-10(9-4-6-18-7-5-9)2-3-11(12)14(20)13(15(17)21)16(19)22/h2-8,20H,1H3,(H2,17,21)
InChIKey
KGEYTYGVVOIBBI-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.0957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10298 167.4
[M+Na]+ 318.08492 177.8
[M-H]- 294.08842 171.8
[M+NH4]+ 313.12952 180.1
[M+K]+ 334.05886 172.3
[M+H-H2O]+ 278.09296 158.4
[M+HCOO]- 340.09390 186.9
[M+CH3COO]- 354.10955 205.0
[M+Na-2H]- 316.07037 171.9
[M]+ 295.09515 167.7
[M]- 295.09625 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe